THC Science

MDMB-FUBINACA
Legal status
Legal status	CA: Schedule II; DE: NpSG (Industrial and scientific use only); UK: Class B; US: Schedule I;
Identifiers
	IUPAC name Methyl (2S)-2-{[1-(4-fluorobenzyl)indazole-3-carbonyl]amino}-3,3-dimethylbutanoate;
CAS Number	1971007-93-8;
PubChem CID	119025665;
ChemSpider	32741674;
UNII	544DR70TN4;
CompTox Dashboard (EPA)	DTXSID501010003 ;
Chemical and physical data
Formula	C22H24FN3O3
Molar mass	397.450 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3;
	InChI InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1; Key:RFCDVEHNYDVCMU-LJQANCHMSA-N;

MDMB-FUBINACA (also known as MDMB(N)-Bz-F and FUB-MDMB) is an indazole-based synthetic cannabinoid that is a potent agonist for the cannabinoid receptors, with K_i values of 1.14 nM at CB₁ and 0.1228 nM at CB₂ and EC₅₀ values of 0.2668 nM at CB₁ and 0.1411 nM at CB₂,^[1] and has been sold online as a designer drug.^[2]^[3] Its benzyl analogue (instead of 4-fluorobenzyl) has been reported to be a potent agonist for the CB₁ receptor (K_i = 0.14 nM, EC₅₀ = 2.42 nM).^[4]^[5] The structure of MDMB-FUBINACA contains the amino acid, 3-methylvaline^[6] or tert-leucine methyl ester.

Side effects[edit]

There have been a large number of reported cases of deaths and hospitalizations in relation to this synthetic cannabinoid, mainly in Russia and Belarus. MDMB-FUBINACA was first reported in 2014 and quickly gained a reputation as the most deadly synthetic cannabinoid drug sold by 2015.^[7] Up to 700 hospitalisations and 25 deaths were initially linked to MDMB-FUBINACA in media and government reports, and subsequent testing confirmed that at least 1000 hospitalisations and 40 deaths had occurred as a consequence of intoxication by MDMB-FUBINACA as of March 2015.^[8]^[9]

Legal status[edit]

In the United States, MDMB-FUBINACA is a Schedule I controlled substance.^[10]

As of October 2015, MDMB-FUBINACA is a controlled substance in Belarus, Russia,^[11] and China.^[12]

In July 2021 it was included in Table II-A of the list of prohibited drugs of Portugal.

References[edit]

^ Gamage TF, Farquhar CE, Lefever TW, Marusich JA, Kevin RC, McGregor IS, et al. (May 2018). "Molecular and Behavioral Pharmacological Characterization of Abused Synthetic Cannabinoids MMB- and MDMB-FUBINACA, MN-18, NNEI, CUMYL-PICA, and 5-Fluoro-CUMYL-PICA". The Journal of Pharmacology and Experimental Therapeutics. 365 (2): 437–446. doi:10.1124/jpet.117.246983. PMC 5932312. PMID 29549157.
^ "MDMB-FUBINACA". Cayman Chemical. Retrieved 13 July 2015.
^ Lee JH, Park HN, Leem TS, Jeon JH, Cho S, Lee J, Baek SY (2016). "Identification of new synthetic cannabinoid analogue APINAC (adamantan-1-yl 1-pentyl-1H-indazole-3-carboxylate) with other synthetic cannabinoid MDMB(N)-Bz-F in illegal products". Forensic Toxicology. 35: 45–55. doi:10.1007/s11419-016-0331-z. ISSN 1860-8973. S2CID 20136837.
^ WO 2009106982, Buchler IP et al, "Indazole Derivatives"
^ Banister SD, Longworth M, Kevin R, Sachdev S, Santiago M, Stuart J, et al. (September 2016). "Pharmacology of Valinate and tert-Leucinate Synthetic Cannabinoids 5F-AMBICA, 5F-AMB, 5F-ADB, AMB-FUBINACA, MDMB-FUBINACA, MDMB-CHMICA, and Their Analogues". ACS Chemical Neuroscience. 7 (9): 1241–54. doi:10.1021/acschemneuro.6b00137. PMID 27421060.
^ 3-methylvaline
^ Shevyrin V, Melkozerov V, Nevero A, Eltsov O, Shafran Y, Morzherin Y, Lebedev AT (August 2015). "Identification and analytical characteristics of synthetic cannabinoids with an indazole-3-carboxamide structure bearing a N-1-methoxycarbonylalkyl group". Analytical and Bioanalytical Chemistry. 407 (21): 6301–15. doi:10.1007/s00216-015-8612-7. PMID 25893797. S2CID 31838655.
^ "Выступление председателя ГАК, директора ФСКН России В.П. Иванова на заседании ГАК 6 октября 2014 г." (in Russian). Federal Drug Control Service of the Russian Federation. 6 October 2014. Archived from the original on 9 July 2015. Retrieved 24 June 2015.
^ I. Bulygina (21 October 2014). "Clinical presentations of intoxication by new psychoactive compound MDMB(N)-Bz-F. Thesis of The II Scientific and Practical Seminar 'Methodical, Organizational and Law Problems of Chemical and Toxicological Laboratories of Narcological Services', Moscow" (in Russian). Retrieved 13 July 2015.
^ "Schedules of Controlled Substances: Temporary Placement of Six Synthetic Cannabinoids (5F-ADB, 5F-AMB, 5F-APINACA, ADB-FUBINACA, MDMB-CHMICA and MDMB-FUBINACA) Into Schedule I". Drug Enforcement Administration.
^ "Очередная жертва спайса" (in Russian). Federal Drug Control Service of the Russian Federation. 17 March 2015. Archived from the original on 14 July 2015. Retrieved 13 July 2015.
^ "关于印发《非药用类麻醉药品和精神药品列管办法》的通知" (in Chinese). China Food and Drug Administration. 27 September 2015. Retrieved 1 October 2015.

[1] Gamage TF, Farquhar CE, Lefever TW, Marusich JA, Kevin RC, McGregor IS, et al. (May 2018). "Molecular and Behavioral Pharmacological Characterization of Abused Synthetic Cannabinoids MMB- and MDMB-FUBINACA, MN-18, NNEI, CUMYL-PICA, and 5-Fluoro-CUMYL-PICA". The Journal of Pharmacology and Experimental Therapeutics. 365 (2): 437–446. doi:10.1124/jpet.117.246983. PMC 5932312. PMID 29549157.

[2] "MDMB-FUBINACA". Cayman Chemical. Retrieved 13 July 2015.

[3] Lee JH, Park HN, Leem TS, Jeon JH, Cho S, Lee J, Baek SY (2016). "Identification of new synthetic cannabinoid analogue APINAC (adamantan-1-yl 1-pentyl-1H-indazole-3-carboxylate) with other synthetic cannabinoid MDMB(N)-Bz-F in illegal products". Forensic Toxicology. 35: 45–55. doi:10.1007/s11419-016-0331-z. ISSN 1860-8973. S2CID 20136837.

[4] WO 2009106982, Buchler IP et al, "Indazole Derivatives"

[5] Banister SD, Longworth M, Kevin R, Sachdev S, Santiago M, Stuart J, et al. (September 2016). "Pharmacology of Valinate and tert-Leucinate Synthetic Cannabinoids 5F-AMBICA, 5F-AMB, 5F-ADB, AMB-FUBINACA, MDMB-FUBINACA, MDMB-CHMICA, and Their Analogues". ACS Chemical Neuroscience. 7 (9): 1241–54. doi:10.1021/acschemneuro.6b00137. PMID 27421060.

[6] 3-methylvaline

[7] Shevyrin V, Melkozerov V, Nevero A, Eltsov O, Shafran Y, Morzherin Y, Lebedev AT (August 2015). "Identification and analytical characteristics of synthetic cannabinoids with an indazole-3-carboxamide structure bearing a N-1-methoxycarbonylalkyl group". Analytical and Bioanalytical Chemistry. 407 (21): 6301–15. doi:10.1007/s00216-015-8612-7. PMID 25893797. S2CID 31838655.

[8] "Выступление председателя ГАК, директора ФСКН России В.П. Иванова на заседании ГАК 6 октября 2014 г." (in Russian). Federal Drug Control Service of the Russian Federation. 6 October 2014. Archived from the original on 9 July 2015. Retrieved 24 June 2015.

[9] I. Bulygina (21 October 2014). "Clinical presentations of intoxication by new psychoactive compound MDMB(N)-Bz-F. Thesis of The II Scientific and Practical Seminar 'Methodical, Organizational and Law Problems of Chemical and Toxicological Laboratories of Narcological Services', Moscow" (in Russian). Retrieved 13 July 2015.

[10] "Schedules of Controlled Substances: Temporary Placement of Six Synthetic Cannabinoids (5F-ADB, 5F-AMB, 5F-APINACA, ADB-FUBINACA, MDMB-CHMICA and MDMB-FUBINACA) Into Schedule I". Drug Enforcement Administration.

[11] "Очередная жертва спайса" (in Russian). Federal Drug Control Service of the Russian Federation. 17 March 2015. Archived from the original on 14 July 2015. Retrieved 13 July 2015.

[12] "关于印发《非药用类麻醉药品和精神药品列管办法》的通知" (in Chinese). China Food and Drug Administration. 27 September 2015. Retrieved 1 October 2015.

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@@ Line 1: / Line 1: @@
+{{Short description|Chemical compound}}
 {{Drugbox
-| IUPAC_name = methyl (S)-2-(1-(4-fluorobenzyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
+| IUPAC_name = Methyl (2''S'')-2-{[1-(4-fluorobenzyl)indazole-3-carbonyl]amino}-3,3-dimethylbutanoate
-| image = MDMB-FUBINACA.png
+| image = MDMB-FUBINACA.svg
 <!--Clinical data-->
@@ Line 9: / Line 10: @@
 | pregnancy_category =
 | legal_AU =
-| legal_CA =
+| legal_CA = Schedule II
-| legal_UK =
+| legal_DE = NpSG
+| legal_UK = Class B
-| legal_US =
+| legal_US = Schedule I
 | legal_status =
 | routes_of_administration =
@@ Line 24: / Line 26: @@
 <!--Identifiers-->
 | CAS_number_Ref =
-| CAS_number = 1715016-77-5
+| CAS_number = 1971007-93-8
 | ATC_prefix =
 | ATC_suffix =
-| PubChem =
+| PubChem = 119025665
-| ChemSpiderID      =
+| ChemSpiderID      = 32741674
+| UNII = 544DR70TN4
 | smiles            = O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
-| InChI             =
-| InChIKey          =
 | StdInChI          = 1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1
 | StdInChIKey       = RFCDVEHNYDVCMU-LJQANCHMSA-N
@@ Line 37: / Line 38: @@
 <!--Chemical data-->
 | C=22 | H=24 | F=1 | N=3 | O=3
-| molecular_weight = 397.4 g/mol
 }}
-'''MDMB-FUBINACA''' (also known as ''' MDMB(N)-Bz-F''' and '''FUB-MDMB''') is an [[indazole]]-based [[synthetic cannabinoid]] that is presumed to be a potent [[agonist]] of the [[CB1 receptor|CB<sub>1</sub> receptor]] and has been sold online as a [[designer drug]].<ref>{{cite web | url=https://www.caymanchem.com/app/template/Product.vm/catalog/16966 | title=MDMB-FUBINACA | publisher=Cayman Chemical | accessdate=13 July 2015}}</ref> Although there is no pharmacological information about MDMB-FUBINACA itself, its benzyl analogue (instead of 4-fluorobenzyl) has been reported to be a potent [[agonist]] for the [[CB1 receptor|CB<sub>1</sub> receptor]] (Ki = 0.14 nM, EC<sub>50</sub> = 2.42nM).<ref>[http://patentscope.wipo.int/search/en/detail.jsf?docId=WO2009106982 Buchler IP et al, INDAZOLE DERIVATIVES. WO 2009/106982]</ref>
+'''MDMB-FUBINACA''' (also known as ''' MDMB(N)-Bz-F''' and '''FUB-MDMB''') is an [[indazole]]-based [[synthetic cannabinoid]] that is a potent [[agonist]] for the [[cannabinoid receptor]]s, with [[enzyme inhibitor|''K''<sub>i</sub>]] values of 1.14&nbsp;nM at [[cannabinoid receptor type 1|CB<sub>1</sub>]] and 0.1228&nbsp;nM at [[cannabinoid receptor type 2|CB<sub>2</sub>]] and [[EC50|EC<sub>50</sub>]] values of 0.2668&nbsp;nM at CB<sub>1</sub> and 0.1411&nbsp;nM at CB<sub>2</sub>,<ref>{{cite journal | vauthors = Gamage TF, Farquhar CE, Lefever TW, Marusich JA, Kevin RC, McGregor IS, Wiley JL, Thomas BF | display-authors = 6 | title = Molecular and Behavioral Pharmacological Characterization of Abused Synthetic Cannabinoids MMB- and MDMB-FUBINACA, MN-18, NNEI, CUMYL-PICA, and 5-Fluoro-CUMYL-PICA | journal = The Journal of Pharmacology and Experimental Therapeutics | volume = 365 | issue = 2 | pages = 437–446 | date = May 2018 | pmid = 29549157 | pmc = 5932312 | doi = 10.1124/jpet.117.246983 | url = http://jpet.aspetjournals.org/content/early/2018/03/16/jpet.117.246983 }}</ref> and has been sold online as a [[designer drug]].<ref>{{cite web | url=https://www.caymanchem.com/Product.vm/catalog/16966 | title=MDMB-FUBINACA | publisher=Cayman Chemical | access-date=13 July 2015}}</ref><ref>{{cite journal| vauthors = Lee JH, Park HN, Leem TS, Jeon JH, Cho S, Lee J, Baek SY |title=Identification of new synthetic cannabinoid analogue APINAC (adamantan-1-yl 1-pentyl-1H-indazole-3-carboxylate) with other synthetic cannabinoid MDMB(N)-Bz-F in illegal products|journal=Forensic Toxicology|volume=35|pages=45–55|date=2016|issn=1860-8973|doi=10.1007/s11419-016-0331-z |s2cid=20136837}}</ref> Its benzyl analogue (instead of 4-fluorobenzyl) has been reported to be a potent [[agonist]] for the [[Cannabinoid receptor type 1|CB<sub>1</sub> receptor]] (''K''<sub>i</sub> = 0.14&nbsp;nM, EC<sub>50</sub> = 2.42&nbsp;nM).<ref>{{cite patent | country = WO | number = 2009106982 | inventor = Buchler IP et al | title = Indazole Derivatives }}</ref><ref>{{cite journal | vauthors = Banister SD, Longworth M, Kevin R, Sachdev S, Santiago M, Stuart J, Mack JB, Glass M, McGregor IS, Connor M, Kassiou M | display-authors = 6 | title = Pharmacology of Valinate and tert-Leucinate Synthetic Cannabinoids 5F-AMBICA, 5F-AMB, 5F-ADB, AMB-FUBINACA, MDMB-FUBINACA, MDMB-CHMICA, and Their Analogues | journal = ACS Chemical Neuroscience | volume = 7 | issue = 9 | pages = 1241–54 | date = September 2016 | pmid = 27421060 | doi = 10.1021/acschemneuro.6b00137 }}</ref> The structure of MDMB-FUBINACA contains the amino acid, 3-methylvaline<ref>[http://www.chemspider.com/Chemical-Structure.270637.html 3-methylvaline]</ref> or tert-[[leucine]] methyl ester.
 == Side effects ==
-There have been a large number of reported cases of deaths and hospitalizations in relation to this synthetic cannabinoid, mainly in Russia and Belarus. MDMB-FUBINACA was first reported in 2014 and quickly gained a reputation as the most deadly synthetic cannabinoid drug sold to date.<ref name="Shevyrin_2015">{{cite journal | vauthors = Shevyrin V, Melkozerov V, Nevero A, Eltsov O, Shafran Y, Morzherin Y, Lebedev AT | title = Identification and analytical characteristics of synthetic cannabinoids with an indazole-3-carboxamide structure bearing a N-1-methoxycarbonylalkyl group | journal = Analytical and Bioanalytical Chemistry | date = Apr 2015 | pmid = 25893797 | doi = 10.1007/s00216-015-8612-7 | url = http://link.springer.com/article/10.1007%2Fs00216-015-8612-7 | volume=407 | pages=6301–15}}</ref> Up to 700 hospitalisations and 25 deaths were initially linked to MDMB-FUBINACA in media and government reports, and subsequent testing confirmed that at least 1000 hospitalisations and 40 deaths had occurred as a consequence of intoxication by MDMB-FUBINACA as of March 2015.<ref>{{cite web | url=http://rt.com/news/193700-russia-spice-deadly-drug/ | title=25 killed, over 700 hospitalized: Cheap ‘Spice’ designer drug causes severe poisoning across Russia | date=7 October 2014 | accessdate=13 July 2015}}</ref><ref>{{cite web | url=http://fskn.gov.ru/includes/periodics/speeches_fskn/2014/1006/124332682/detail.shtml | title=Выступление председателя ГАК, директора ФСКН России В.П. Иванова на заседании ГАК 6 октября 2014 г. | publisher=Federal Drug Control Service of the Russian Federation | date=6 October 2014 | accessdate=24 June 2015}}</ref><ref>{{cite web | url=http://www.narkotiki.ru/objects/narkotiki02/1414709242.ppt | title=Clinical presentations of intoxication by new psychoactive compound MDMB(N)-Bz-F. Thesis of The II Scientific and Practical Seminar ‘Methodical, Organizational and Law Problems of Chemical and Toxicological Laboratories of Narcological Services’, Moscow | date=21 October 2014 | accessdate=13 July 2015 | author=I. Bulygina}}</ref>
+There have been a large number of reported cases of deaths and hospitalizations in relation to this synthetic cannabinoid, mainly in Russia and Belarus. MDMB-FUBINACA was first reported in 2014 and quickly gained a reputation as the most deadly synthetic cannabinoid drug sold by 2015.<ref>{{cite journal | vauthors = Shevyrin V, Melkozerov V, Nevero A, Eltsov O, Shafran Y, Morzherin Y, Lebedev AT | s2cid = 31838655 | title = Identification and analytical characteristics of synthetic cannabinoids with an indazole-3-carboxamide structure bearing a N-1-methoxycarbonylalkyl group | journal = Analytical and Bioanalytical Chemistry | volume = 407 | issue = 21 | pages = 6301–15 | date = August 2015 | pmid = 25893797 | doi = 10.1007/s00216-015-8612-7 }}</ref> Up to 700 hospitalisations and 25 deaths were initially linked to MDMB-FUBINACA in media and government reports, and subsequent testing confirmed that at least 1000 hospitalisations and 40 deaths had occurred as a consequence of intoxication by MDMB-FUBINACA as of March 2015.<ref>{{cite web | url=http://fskn.gov.ru/includes/periodics/speeches_fskn/2014/1006/124332682/detail.shtml | title=Выступление председателя ГАК, директора ФСКН России В.П. Иванова на заседании ГАК 6 октября 2014 г. | publisher=Federal Drug Control Service of the Russian Federation | date=6 October 2014 | access-date=24 June 2015 | language=ru | archive-url=https://web.archive.org/web/20150709115330/http://fskn.gov.ru/includes/periodics/speeches_fskn/2014/1006/124332682/detail.shtml | archive-date=9 July 2015 | url-status=dead }}</ref><ref>{{cite web | url=http://www.narkotiki.ru/objects/narkotiki02/1414709242.ppt | title=Clinical presentations of intoxication by new psychoactive compound MDMB(N)-Bz-F. Thesis of The II Scientific and Practical Seminar 'Methodical, Organizational and Law Problems of Chemical and Toxicological Laboratories of Narcological Services', Moscow | date=21 October 2014 | access-date=13 July 2015 | author=I. Bulygina | language=ru}}</ref>
-==Legal Status==
+==Legal status==
+In the United States, MDMB-FUBINACA is a [[Controlled_Substances_Act#Schedule_I_controlled_substances|Schedule I controlled substance]].<ref>{{cite web | url = https://www.deadiversion.usdoj.gov/fed_regs/rules/2016/fr1221.htm | title = Schedules of Controlled Substances: Temporary Placement of Six Synthetic Cannabinoids (5F-ADB, 5F-AMB, 5F-APINACA, ADB-FUBINACA, MDMB-CHMICA and MDMB-FUBINACA) Into Schedule I | publisher = [[Drug Enforcement Administration]]}}</ref>
-As of October 2015 MDMB-FUBINACA is a controlled substance in Belarus, Russia,<ref>{{cite web | url=http://www.fskn.gov.ru/includes/periodics/news/2015/0317/205035975/detail.shtml | title=Очередная жертва спайса | publisher=Federal Drug Control Service of the Russian Federation | date=17 March 2015 | accessdate=13 July 2015}}</ref> and China.<ref>{{cite web | url=http://www.sfda.gov.cn/WS01/CL0056/130753.html | title=关于印发《非药用类麻醉药品和精神药品列管办法》的通知 | publisher=China Food and Drug Administration | date=27 September 2015 | language=Chinese | accessdate=1 October 2015}}</ref>
+As of October 2015, MDMB-FUBINACA is a controlled substance in Belarus, Russia,<ref>{{cite web | url=http://www.fskn.gov.ru/includes/periodics/news/2015/0317/205035975/detail.shtml | title=Очередная жертва спайса | publisher=Federal Drug Control Service of the Russian Federation | date=17 March 2015 | access-date=13 July 2015 | language=ru | archive-url=https://web.archive.org/web/20150714044651/http://www.fskn.gov.ru/includes/periodics/news/2015/0317/205035975/detail.shtml | archive-date=14 July 2015 | url-status=dead }}</ref> and China.<ref>{{cite web | url=http://www.sfda.gov.cn/WS01/CL0056/130753.html | title=关于印发《非药用类麻醉药品和精神药品列管办法》的通知 | publisher=China Food and Drug Administration | date=27 September 2015 | language=zh | access-date=1 October 2015}}</ref>
-==See also==
+In July 2021 it was included in Table II-A of the list of prohibited drugs of Portugal.
+== See also ==
 {{div col|colwidth=30em}}
 * [[5F-AB-PINACA]]
@@ Line 59: / Line 63: @@
 * [[AB-CHMINACA]]
 * [[AB-PINACA]]
+* [[ADB-BINACA]]
 * [[ADB-CHMINACA]]
 * [[ADB-FUBINACA]]
 * [[ADB-PINACA]]
 * [[ADBICA]]
-* [[APICA]]
+* [[APICA (synthetic cannabinoid drug)|APICA]]
 * [[APINACA]]
 * [[APP-FUBINACA]]
@@ Line 71: / Line 76: @@
 {{Div col end}}
-==References==
+== References ==
 {{Reflist}}
@@ Line 81: / Line 86: @@
 [[Category:Indazolecarboxamides]]
 [[Category:Fluoroarenes]]
+[[Category:Tert-butyl compounds]]
-{{cannabinoid-stub}}

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Latest revision as of 20:26, 3 August 2023

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Legal status

Legal status	CA: Schedule II DE: NpSG (Industrial and scientific use only) UK: Class B US: Schedule I
Identifiers
IUPAC name Methyl (2S)-2-{[1-(4-fluorobenzyl)indazole-3-carbonyl]amino}-3,3-dimethylbutanoate
CAS Number	1971007-93-8
PubChem CID	119025665
ChemSpider	32741674
UNII	544DR70TN4
CompTox Dashboard (EPA)	DTXSID501010003
Chemical and physical data
Formula	C₂₂H₂₄FN₃O₃
Molar mass	397.450 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C(N[C@H](C(OC)=O)C(C)(C)C)C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3
InChI InChI=1S/C22H24FN3O3/c1-22(2,3)19(21(28)29-4)24-20(27)18-16-7-5-6-8-17(16)26(25-18)13-14-9-11-15(23)12-10-14/h5-12,19H,13H2,1-4H3,(H,24,27)/t19-/m1/s1 Key:RFCDVEHNYDVCMU-LJQANCHMSA-N